ChemicalBook--->CAS DataBase List--->110-41-8

110-41-8

110-41-8 Structure

110-41-8 Structure
IdentificationMore
[Name]

2-METHYLUNDECANAL
[CAS]

110-41-8
[Synonyms]

2-METHYLHENDECANAL
2-METHYLNONYLACETALDEHYDE
2-METHYLUNDECANAL
2-METHYLUNDECYL ALDEHYDE
ALDEHYDE C-12
ALDEHYDE C-12 MNA
FEMA 2749
FEMA 2794
METHYL-N-NONYLACETALDEHYDE
METHYL NONYL ACETALDEHYDE
MNA
2-Methyl-1-undecanal
2-methyl-undecana
Aldehyde M.N.A.
aldehydem.n.a.
AldehydeMNA
methyln-nonylaceticaldehyde
Methylnonylacetic aldehyde
-Methylundecanal
Undecanal,2-methyl-
[EINECS(EC#)]

203-765-0
[Molecular Formula]

C12H24O
[MDL Number]

MFCD00006990
[Molecular Weight]

184.32
[MOL File]

110-41-8.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to yellowish liquid
[Boiling point ]

171 °C(lit.)
[density ]

0.83 g/mL at 25 °C(lit.)
[vapor pressure ]

2.4Pa at 20℃
[FEMA ]

2749
[refractive index ]

n20/D 1.432(lit.)
[Fp ]

200 °F
[Odor]

at 1.00 % in dipropylene glycol. fresh amber aldehydic moss citrus tuberose metallic waxy coumarinic
[Odor Type]

aldehydic
[Water Solubility ]

1.3mg/L at 20℃
[JECFA Number]

275
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3
[InChIKey]

NFAVNWJJYQAGNB-UHFFFAOYSA-N
[SMILES]

C(=O)C(C)CCCCCCCCC
[LogP]

4.9 at 35℃
[Uses]

Perfumery, flavoring.
[CAS DataBase Reference]

110-41-8(CAS DataBase Reference)
[EPA Substance Registry System]

Undecanal, 2-methyl- (110-41-8)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H400-H317-H410-H315
[Precautionary statements ]

P273-P391-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
[WGK Germany ]

1
[RTECS ]

YQ1509000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[Safety Profile]

Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
[Toxicity]

The acute oral LD50 value was reported as > 5 g/kg in the rat . The acute dermal LD50 for sample no. 71-16 was reported to be > 10 g/kg in the rabbit
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium ethoxide-->Ethyl chloroacetate-->Acrolein-->Glycidol-->DL-Glyceric acid-->2-Undecanone-->Methylnonylketone(sg)
[Preparation Products]

2-Methylundecanal dimethylacetal
Hazard InformationBack Directory
[Description]

2-Methylundecanal has a characteristic fatty odor assuming a floral note on dilution. It has an acrid, fatty unpleasant flavor at high levels. At low levels, the flavor is honey- and nut-like. It may be prepared by cracking the corresponding glycidic acid; from α-nonyl acrolein; from methyl nonyl ketone and ethyl monochloroacetate in the presence of sodium ethylate.
[Chemical Properties]

2-Methylundecanal has a characteristic fatty odor assuming a floral note on dilution. At high levels, it has an acrid, fatty, unpleasant flavor. At low levels, the flavor is honey and nut-like.
[Chemical Properties]

clear colourless to yellowish liquid
[Occurrence]

Reported found in kumquat peel oil.
[Preparation]

2-Methylundecanal is reported as being found in nature. It is a colorless liquid, with an odor markedly different from that of the isomeric dodecanal. It has a fatty odor with incense and ambergris notes.
2-Methylundecanal is produced by two routes:
1) 2-Undecanone is converted into its glycidate by reaction with an alkyl chloroacetate. Saponification of the glycidate, followed by decarboxylation, yields 2-methylundecanal.
2) The second synthesis is based on the conversion of undecanal into 2- methyleneundecanal by reaction with formaldehyde in the presence of catalytic amounts of amines. Hydrogenation of 2-methyleneundecanal yields methylnonylacetaldehyde (MNA). A convenient process starts from 1-decene: hydroformylation gives a mixture consisting mainly of undecanal and 2-methyldecanal. Reaction of the crude product with formaldehyde in the presence of dibutylamine yields a mixture containing over 50% 2-methyleneundecanal. After hydrogenation of the double bond, pure 2-methylundecanal is separated from the by-products by fractional distillation.
In comparison with other fatty aldehydes, 2-methylundecanal is used in perfumery in rather large amounts to impart conifer notes, particularly fir impressions, but frequently also in fantasy compositions.
[Taste threshold values]

Taste characteristics at 2 ppm: waxy, fatty, metallic with a citrus nuance.
[Flammability and Explosibility]

Nonflammable
[Synthesis]

By cracking the corresponding glycidic acid; from α-nonyl acrolein; from methyl nonyl ketone and ethyl monochloroacetate in the presence of sodium ethylate
[Metabolism]

See monograph on aldehyde C-8*.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

110-41-8(sigmaaldrich)
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